4-methoxy-3-(prop-2-ynylamino)benzamide

C11H12N2O2 — CID 63952284

IUPAC4-methoxy-3-(prop-2-ynylamino)benzamide
SMILESC#CCNc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C11H12N2O2/c1-3-6-13-9-7-8(11(12)14)4-5-10(9)15-2/h1,4-5,7,13H,6H2,2H3,(H2,12,14)
InChIKeyHEYVTGZOYYBNPE-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.84
Rot. Bonds4

About 4-methoxy-3-(prop-2-ynylamino)benzamide

4-methoxy-3-(prop-2-ynylamino)benzamide (PubChem CID 63952284) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-methoxy-3-(prop-2-ynylamino)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(prop-2-ynylamino)benzamide
PubChem CID63952284
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-methoxy-3-(prop-2-ynylamino)benzamide
SMILESC#CCNc1cc(C(N)=O)ccc1OC
InChIInChI=1S/C11H12N2O2/c1-3-6-13-9-7-8(11(12)14)4-5-10(9)15-2/h1,4-5,7,13H,6H2,2H3,(H2,12,14)
InChIKeyHEYVTGZOYYBNPE-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
CID 171531137
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735345
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4-methoxybenzamide
CID 81412848
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
CID 169341777
4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide
CID 43789041
3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(prop-2-ynylamino)benzamide?
The IUPAC name of 4-methoxy-3-(prop-2-ynylamino)benzamide (CID 63952284) is 4-methoxy-3-(prop-2-ynylamino)benzamide.
What is the SMILES notation for 4-methoxy-3-(prop-2-ynylamino)benzamide?
The canonical SMILES for 4-methoxy-3-(prop-2-ynylamino)benzamide is C#CCNc1cc(C(N)=O)ccc1OC.
What is the InChIKey of 4-methoxy-3-(prop-2-ynylamino)benzamide?
The InChIKey is HEYVTGZOYYBNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-6-13-9-7-8(11(12)14)4-5-10(9)15-2/h1,4-5,7,13H,6H2,2H3,(H2,12,14).
What are the key properties of 4-methoxy-3-(prop-2-ynylamino)benzamide?
4-methoxy-3-(prop-2-ynylamino)benzamide has a molecular weight of 204.23 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(prop-2-ynylamino)benzamide is sourced from PubChem (CID 63952284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).